BDBM587 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis(2-phenylethyl)hexanediamide::Diol-Based HIV-1 protease inhibitor 6::N1,N 6 -Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(2-phenylethyl)hexanediamide

SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key InChIKey=GHXMNIYXDTYJRJ-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 587   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Stockholm University

LigandPNGBDBM587((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...)
Affinity DataKi:  0.400nM ΔG°:  -13.0kcal/molepH: 5.0 T: 2°CAssay Description:A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2004
Entry Details Article
PubMed